2-(aminomethyl)-4-bromoheptan-1-ol

C8H18BrNO — CID 166967667

IUPAC2-(aminomethyl)-4-bromoheptan-1-ol
SMILESCCCC(Br)CC(CN)CO
InChIInChI=1S/C8H18BrNO/c1-2-3-8(9)4-7(5-10)6-11/h7-8,11H,2-6,10H2,1H3
InChIKeyXZRGTLYDXZMRNV-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.51
Rot. Bonds6

About 2-(aminomethyl)-4-bromoheptan-1-ol

2-(aminomethyl)-4-bromoheptan-1-ol (PubChem CID 166967667) has the molecular formula C8H18BrNO and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromoheptan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromoheptan-1-ol
PubChem CID166967667
Molecular FormulaC8H18BrNO
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC Name2-(aminomethyl)-4-bromoheptan-1-ol
SMILESCCCC(Br)CC(CN)CO
InChIInChI=1S/C8H18BrNO/c1-2-3-8(9)4-7(5-10)6-11/h7-8,11H,2-6,10H2,1H3
InChIKeyXZRGTLYDXZMRNV-UHFFFAOYSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromopentan-1-ol
CID 101373163
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
3-bromohexane
CID 18806
5,5-diamino-2-propylpent-4-en-1-ol
CID 155659561
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
(E)-2-(aminomethyl)undec-7-en-1-ol
CID 145001245
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
2-propylhexane-1,4-diamine
CID 174915124
(4R)-4-fluoro-2-propylpentan-1-ol
CID 176624493
(2R)-2-bromohexan-1-ol
CID 131142096
methyl (3R)-3-(aminomethyl)hexanoate
CID 87371995

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromoheptan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-bromoheptan-1-ol (CID 166967667) is 2-(aminomethyl)-4-bromoheptan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-bromoheptan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-bromoheptan-1-ol is CCCC(Br)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-bromoheptan-1-ol?
The InChIKey is XZRGTLYDXZMRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO/c1-2-3-8(9)4-7(5-10)6-11/h7-8,11H,2-6,10H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromoheptan-1-ol?
2-(aminomethyl)-4-bromoheptan-1-ol has a molecular weight of 224.14 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromoheptan-1-ol is sourced from PubChem (CID 166967667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).